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7K5I
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BU of 7k5i by Molmil
SARS-COV-2 nsp1 in complex with human 40S ribosome
Descriptor: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Wang, L, Shi, M, Wu, H.
Deposit date:2020-09-16
Release date:2020-10-14
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:SARS-CoV-2 Nsp1 suppresses host but not viral translation through a bipartite mechanism.
Biorxiv, 2020
3RZF
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BU of 3rzf by Molmil
Crystal Structure of Inhibitor of kappaB kinase beta (I4122)
Descriptor: (4-{[4-(4-chlorophenyl)pyrimidin-2-yl]amino}phenyl)[4-(2-hydroxyethyl)piperazin-1-yl]methanone, MGC80376 protein
Authors:Xu, G, Lo, Y.C, Li, Q, Napolitano, G, Wu, X, Jiang, X, Dreano, M, Karin, M, Wu, H.
Deposit date:2011-05-11
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structure of inhibitor of KappaB kinase Beta.
Nature, 472, 2011
4LVD
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BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
2PXX
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BU of 2pxx by Molmil
Human putative methyltransferase MGC2408
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION, Uncharacterized protein MGC2408
Authors:Tempel, W, Wu, H, Dombrovsky, L, Zeng, H, Zhu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-05-14
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:An intact SAM-dependent methyltransferase fold is encoded by the human endothelin-converting enzyme-2 gene.
Proteins, 74, 2009
4M6Q
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BU of 4m6q by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4M6P
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BU of 4m6p by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-08-10
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
5L08
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BU of 5l08 by Molmil
Cryo-EM structure of Casp-8 tDED filament
Descriptor: Caspase-8
Authors:Fu, T.M, Li, Y, Lu, A, Wu, H.
Deposit date:2016-07-26
Release date:2016-11-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM Structure of Caspase-8 Tandem DED Filament Reveals Assembly and Regulation Mechanisms of the Death-Inducing Signaling Complex.
Mol.Cell, 64, 2016
4I51
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BU of 4i51 by Molmil
Methyltransferase domain of HUMAN EUCHROMATIC HISTONE METHYLTRANSFERASE 1, mutant Y1211A
Descriptor: GLYCEROL, H3K9 NE-ALLYL PEPTIDE, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Dong, A, Zeng, H, Walker, J.R, Islam, K, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Lou, M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-11-28
Release date:2012-12-19
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Defining efficient enzyme-cofactor pairs for bioorthogonal profiling of protein methylation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LVB
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BU of 4lvb by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
Descriptor: 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
Deposit date:2013-07-26
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4QIM
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BU of 4qim by Molmil
Structure of the human smoothened receptor in complex with ANTA XV
Descriptor: 2-{6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl}propan-2-ol, Smoothened homolog/Soluble cytochrome b562 chimeric protein, ZINC ION
Authors:Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QIN
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BU of 4qin by Molmil
Structure of the human smoothened receptor in complex with SAG1.5
Descriptor: 3-chloro-4,7-difluoro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide, Smoothened homolog/Soluble cytochrome b562 chimeric protein
Authors:Wang, C, Wu, H, Evron, T, Vardy, E, Han, G.W, Huang, X.-P, Hufeisen, S.J, Mangano, T.J, Urban, D.J, Katritch, V, Cherezov, V, Caron, M.G, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2014-05-31
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs.
Nat Commun, 5, 2014
4QL1
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BU of 4ql1 by Molmil
Crystal structure of human WDR5 in complex with compound OICR-9429
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-(4-(4-methylpiperazin-1-yl)-3'-(morpholinomethyl)-[1,1'-biphenyl]-3-yl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Walker, J.R, Getlik, M, Kuznetsova, E, Smil, D, Barsyte, D, Li, F, Poda, G, Senisterra, G, Marcellus, R, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pharmacological targeting of the Wdr5-MLL interaction in C/EBP alpha N-terminal leukemia.
Nat.Chem.Biol., 11, 2015
6VFE
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BU of 6vfe by Molmil
Gasdermin D pore
Descriptor: Gasdermin-D, N-terminal
Authors:Xia, S, Ruan, J, Wu, H.
Deposit date:2020-01-03
Release date:2021-04-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Gasdermin D pore structure reveals preferential release of mature interleukin-1.
Nature, 593, 2021
4QQE
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BU of 4qqe by Molmil
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
To be Published
6WWZ
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BU of 6wwz by Molmil
Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein
Descriptor: C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H.
Deposit date:2020-05-09
Release date:2020-06-24
Last modified:2020-07-01
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
4RWS
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BU of 4rws by Molmil
Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target)
Descriptor: C-X-C chemokine receptor type 4/Endolysin chimeric protein, Viral macrophage inflammatory protein 2
Authors:Qin, L, Kufareva, I, Holden, L, Wang, C, Zheng, Y, Wu, H, Fenalti, G, Han, G.W, Cherezov, V, Abagyan, R, Stevens, R.C, Handel, T.M, GPCR Network (GPCR)
Deposit date:2014-12-05
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Science, 347, 2015
3B7P
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BU of 3b7p by Molmil
Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase
Authors:Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2007-10-31
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine.
To be Published
6W8N
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BU of 6w8n by Molmil
Structure of a trans-membrane protein
Descriptor: Endosomal/lysosomal potassium channel TMEM175
Authors:Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H.
Deposit date:2020-03-20
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of a trans-membrane protein
To Be Published
6W8P
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BU of 6w8p by Molmil
Structure of membrane protein with ions
Descriptor: Endosomal/lysosomal potassium channel TMEM175, POTASSIUM ION
Authors:Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H.
Deposit date:2020-03-21
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of membrane protein with ions
To Be Published
6W8O
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BU of 6w8o by Molmil
Structure of an Apo membrane protein
Descriptor: Endosomal/lysosomal potassium channel TMEM175
Authors:Shen, C, Fu, T.M, Wang, L.F, Rawson, S, Wu, H.
Deposit date:2020-03-20
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of an Apo membrane protein
To Be Published
4JDS
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BU of 4jds by Molmil
SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
Descriptor: Histone-lysine N-methyltransferase SETD7, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Wu, H, Zeng, H, Park, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2013-02-25
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
to be published
4U6V
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BU of 4u6v by Molmil
Mechanisms of Neutralization of a Human Anti-Alpha Toxin Antibody
Descriptor: Alpha-hemolysin, Fab, antigen binding fragment, ...
Authors:Oganesyan, V.Y, Peng, L, Damschroder, M.M, Cheng, L, Sadowska, A, Tkaczyk, C, Sellman, B, Wu, H, Dall'Acqua, W.F.
Deposit date:2014-07-29
Release date:2014-09-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Mechanisms of Neutralization of a Human Anti-alpha-toxin Antibody.
J.Biol.Chem., 289, 2014
3CKK
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BU of 3ckk by Molmil
Crystal structure of human methyltransferase-like protein 1
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, tRNA (guanine-N(7)-)-methyltransferase
Authors:Dong, A, Zeng, H, Dobrovetsky, E, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Plotnikov, A.N, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2008-03-16
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of human methyltransferase-like protein 1.
To be Published
8UIP
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BU of 8uip by Molmil
Cryo-EM Structure of Human Ninjurin1 curved oligomer
Descriptor: Ninjurin-1
Authors:David, L, Wu, H.
Deposit date:2023-10-10
Release date:2024-05-01
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:NINJ1 mediates plasma membrane rupture by cutting and releasing membrane disks.
Cell, 187, 2024
6MB2
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BU of 6mb2 by Molmil
Cryo-EM structure of the PYD filament of AIM2
Descriptor: Green fluorescent protein, Interferon-inducible protein AIM2
Authors:Lu, A, Li, Y, Wu, H.
Deposit date:2018-08-29
Release date:2018-09-05
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Plasticity in PYD assembly revealed by cryo-EM structure of the PYD filament of AIM2.
Cell Discov, 1, 2015

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